Nitrobenzoic acids and derivatives

Organic compounds that consist of benzoic acid with a nitro group substitution; a nitro group has a nitrogen atom bonded to two oxygen groups in a single and a double bond. Includes compounds that are directly derived from nitrobenzoic acid.

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31 – 45 of 1,042 results

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Dimethyl 3-nitrophthalate, 98%

CAS: 13365-26-9 Molecular Formula: C10H9NO6 Molecular Weight (g/mol): 239.183 MDL Number: MFCD00017184 InChI Key: MLQMIKSBTAZNBK-UHFFFAOYSA-N PubChem CID: 249912 IUPAC Name: dimethyl 3-nitrobenzene-1,2-dicarboxylate SMILES: COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC

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PubChem CID	249912
CAS	13365-26-9
Molecular Weight (g/mol)	239.183
MDL Number	MFCD00017184
SMILES	COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC
IUPAC Name	dimethyl 3-nitrobenzene-1,2-dicarboxylate
InChI Key	MLQMIKSBTAZNBK-UHFFFAOYSA-N
Molecular Formula	C10H9NO6

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Sodium 3-nitrobenzoate, 94%, may contain up to ca 10% water

CAS: 827-95-2 Molecular Formula: C7H4NNaO4 Molecular Weight (g/mol): 189.10 MDL Number: MFCD00150535,MFCD00051097 InChI Key: MUADFEZFSKAZLT-UHFFFAOYSA-M Synonym: sodium 3-nitrobenzoate,3-nitrobenzoic acid sodium salt,benzoic acid, 3-nitro-, sodium salt,unii-i1eq837b3j,m-nitrobenzoic acid sodium salt,sodium m-nitrobenzoate,benzoic acid, 3-nitro-, sodium salt 1:1,3-nitrobenzoic acid, sodium salt,acmc-209pqe,dsstox_cid_24733 PubChem CID: 70014 IUPAC Name: sodium;3-nitrobenzoate SMILES: [Na+].[O-]C(=O)C1=CC=CC(=C1)[N+]([O-])=O

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PubChem CID	70014
CAS	827-95-2
Molecular Weight (g/mol)	189.10
MDL Number	MFCD00150535,MFCD00051097
SMILES	[Na+].[O-]C(=O)C1=CC=CC(=C1)[N+]([O-])=O
Synonym	sodium 3-nitrobenzoate,3-nitrobenzoic acid sodium salt,benzoic acid, 3-nitro-, sodium salt,unii-i1eq837b3j,m-nitrobenzoic acid sodium salt,sodium m-nitrobenzoate,benzoic acid, 3-nitro-, sodium salt 1:1,3-nitrobenzoic acid, sodium salt,acmc-209pqe,dsstox_cid_24733
IUPAC Name	sodium;3-nitrobenzoate
InChI Key	MUADFEZFSKAZLT-UHFFFAOYSA-M
Molecular Formula	C7H4NNaO4

Nitroterephthalic acid, 99+%

CAS: 610-29-7 Molecular Formula: C₈H₅NO₆ Molecular Weight (g/mol): 211.13 MDL Number: MFCD00007141 InChI Key: QUMITRDILMWWBC-UHFFFAOYSA-N Synonym: nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u PubChem CID: 69122 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

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PubChem CID	69122
CAS	610-29-7
Molecular Weight (g/mol)	211.13
MDL Number	MFCD00007141
SMILES	C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
Synonym	nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u
InChI Key	QUMITRDILMWWBC-UHFFFAOYSA-N
Molecular Formula	C₈H₅NO₆

Ethyl 4-nitrobenzoate, 99%

CAS: 99-77-4 Molecular Formula: C₉H₉NO₄ Molecular Weight (g/mol): 195.17 MDL Number: MFCD00007351 InChI Key: PHWSCBWNPZDYRI-UHFFFAOYSA-N Synonym: ethyl p-nitrobenzoate,benzoic acid, 4-nitro-, ethyl ester,4-nitrobenzoic acid ethyl ester,ethyl nitrobenzoate, para ester,p-nitrobenzoic acid, ethyl ester,4-ethoxycarbonyl nitrobenzene,benzoic acid, p-nitro-, ethyl ester,ethyl-p-nitrobenzoate,unii-1och6y8nar,ethyl para-nitrobenzoate PubChem CID: 7457 IUPAC Name: ethyl 4-nitrobenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

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PubChem CID	7457
CAS	99-77-4
Molecular Weight (g/mol)	195.17
MDL Number	MFCD00007351
SMILES	CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
Synonym	ethyl p-nitrobenzoate,benzoic acid, 4-nitro-, ethyl ester,4-nitrobenzoic acid ethyl ester,ethyl nitrobenzoate, para ester,p-nitrobenzoic acid, ethyl ester,4-ethoxycarbonyl nitrobenzene,benzoic acid, p-nitro-, ethyl ester,ethyl-p-nitrobenzoate,unii-1och6y8nar,ethyl para-nitrobenzoate
IUPAC Name	ethyl 4-nitrobenzoate
InChI Key	PHWSCBWNPZDYRI-UHFFFAOYSA-N
Molecular Formula	C₉H₉NO₄

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2-Chloro-5-nitrobenzoic Acid, 99+%

CAS: 2516-96-3 Molecular Formula: C₇H₄ClNO₄ Molecular Weight (g/mol): 201.56 MDL Number: MFCD00007294 InChI Key: QUEKGYQTRJVEQC-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrobenzoic acid,benzoic acid, 2-chloro-5-nitro,6-chloro-3-nitrobenzoic acid,2-chloro-5-nitro-benzoic acid,2-chloro-5-nitrobenzoicacid,mesalamine impurity m,pubchem13682,acmc-1cb0i,2-chloro-5-nitrobenzic acid,5-nitro-2-chlorobenzoic acid PubChem CID: 17287 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

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PubChem CID	17287
CAS	2516-96-3
Molecular Weight (g/mol)	201.56
MDL Number	MFCD00007294
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl
Synonym	2-chloro-5-nitrobenzoic acid,benzoic acid, 2-chloro-5-nitro,6-chloro-3-nitrobenzoic acid,2-chloro-5-nitro-benzoic acid,2-chloro-5-nitrobenzoicacid,mesalamine impurity m,pubchem13682,acmc-1cb0i,2-chloro-5-nitrobenzic acid,5-nitro-2-chlorobenzoic acid
InChI Key	QUEKGYQTRJVEQC-UHFFFAOYSA-N
Molecular Formula	C₇H₄ClNO₄

2-Amino-4-nitrobenzoic acid, 97%

CAS: 619-17-0 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.14 MDL Number: MFCD00007262 InChI Key: UEALKTCRMBVTFN-UHFFFAOYSA-N Synonym: 2-amino-4-nitrobenzoic acid,4-nitroanthranilic acid,benzoic acid, 2-amino-4-nitro,2-amino-4-nitrobenzoicacid,anthranilic acid, 4-nitro,ccris 441,2-amino-4-nitro-benzoic acid,4-nitro-2-aminobenzoic acid,dsstox_cid_963,dsstox_rid_75891 PubChem CID: 12076 ChEBI: CHEBI:75335 IUPAC Name: 2-amino-4-nitrobenzoic acid SMILES: NC1=CC(=CC=C1C(O)=O)[N+]([O-])=O

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PubChem CID	12076
CAS	619-17-0
Molecular Weight (g/mol)	182.14
ChEBI	CHEBI:75335
MDL Number	MFCD00007262
SMILES	NC1=CC(=CC=C1C(O)=O)[N+]([O-])=O
Synonym	2-amino-4-nitrobenzoic acid,4-nitroanthranilic acid,benzoic acid, 2-amino-4-nitro,2-amino-4-nitrobenzoicacid,anthranilic acid, 4-nitro,ccris 441,2-amino-4-nitro-benzoic acid,4-nitro-2-aminobenzoic acid,dsstox_cid_963,dsstox_rid_75891
IUPAC Name	2-amino-4-nitrobenzoic acid
InChI Key	UEALKTCRMBVTFN-UHFFFAOYSA-N
Molecular Formula	C7H6N2O4

5-Fluoro-2-nitrobenzoic acid, 98%

CAS: 320-98-9 Molecular Formula: C₇H₄FNO₄ Molecular Weight (g/mol): 185.11 MDL Number: MFCD00055635 InChI Key: GHYZIXDKAPMFCS-UHFFFAOYSA-N Synonym: 5-fluoro-2-nitrobenzoic acid,2-nitro-5-fluorobenzoic acid,3-fluoro-6-nitrobenzoic acid,5-fluoro-2-nitro-benzoic acid,benzoic acid, 5-fluoro-2-nitro,2-carboxy-4-fluoronitrobenzene,pubchem1309,acmc-1aiv3,5-fluoro-2nitrobenzoic acid,5-fluor-2-nitrobenzoic acid PubChem CID: 2737420 SMILES: C1=CC(=C(C=C1F)C(=O)O)[N+](=O)[O-]

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PubChem CID	2737420
CAS	320-98-9
Molecular Weight (g/mol)	185.11
MDL Number	MFCD00055635
SMILES	C1=CC(=C(C=C1F)C(=O)O)[N+](=O)[O-]
Synonym	5-fluoro-2-nitrobenzoic acid,2-nitro-5-fluorobenzoic acid,3-fluoro-6-nitrobenzoic acid,5-fluoro-2-nitro-benzoic acid,benzoic acid, 5-fluoro-2-nitro,2-carboxy-4-fluoronitrobenzene,pubchem1309,acmc-1aiv3,5-fluoro-2nitrobenzoic acid,5-fluor-2-nitrobenzoic acid
InChI Key	GHYZIXDKAPMFCS-UHFFFAOYSA-N
Molecular Formula	C₇H₄FNO₄

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2-Methyl-4-nitrobenzoic acid, 98%

CAS: 1975-51-5 Molecular Formula: C₈H₇NO₄ Molecular Weight (g/mol): 181.15 InChI Key: XXXOBNJIIZQSPT-UHFFFAOYSA-N Synonym: 2-methyl-4-nitrobenzoic acid,4-nitro-o-toluic acid,2-methyl-4-nitro-benzoic acid,2-methyl-4-nitrobenzoicacid,4-nitro-2-methylbenzoic acid,benzoic acid, 2-methyl-4-nitro,pubchem8363,acmc-1bsab,2-carboxy-5-nitrotoluene,2-methyl4-nitrobenzoic acid PubChem CID: 74790 SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O

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PubChem CID	74790
CAS	1975-51-5
Molecular Weight (g/mol)	181.15
SMILES	CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O
Synonym	2-methyl-4-nitrobenzoic acid,4-nitro-o-toluic acid,2-methyl-4-nitro-benzoic acid,2-methyl-4-nitrobenzoicacid,4-nitro-2-methylbenzoic acid,benzoic acid, 2-methyl-4-nitro,pubchem8363,acmc-1bsab,2-carboxy-5-nitrotoluene,2-methyl4-nitrobenzoic acid
InChI Key	XXXOBNJIIZQSPT-UHFFFAOYSA-N
Molecular Formula	C₈H₇NO₄

Methyl 3-nitrosalicylate, 98%, Thermo Scientific Chemicals

CAS: 22621-41-6 Molecular Formula: C₈H₇NO₅ Molecular Weight (g/mol): 197.15 MDL Number: MFCD00272263 InChI Key: NIBVYEHAFBEVFI-UHFFFAOYSA-N Synonym: methyl 2-hydroxy-3-nitrobenzoate,methyl 3-nitrosalicylate,benzoic acid, 2-hydroxy-3-nitro-, methyl ester,2-hydroxy-3-nitrobenzoic acid methyl ester,2-hydroxy-3-nitro-benzoic acid methyl ester,salicylic acid, 3-nitro-, methyl ester,methyl-3-nitrosalicylat,methyl-m-nitrosalicylate,acmc-209fxo,ksc490c4l PubChem CID: 596904 SMILES: COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])O

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PubChem CID	596904
CAS	22621-41-6
Molecular Weight (g/mol)	197.15
MDL Number	MFCD00272263
SMILES	COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])O
Synonym	methyl 2-hydroxy-3-nitrobenzoate,methyl 3-nitrosalicylate,benzoic acid, 2-hydroxy-3-nitro-, methyl ester,2-hydroxy-3-nitrobenzoic acid methyl ester,2-hydroxy-3-nitro-benzoic acid methyl ester,salicylic acid, 3-nitro-, methyl ester,methyl-3-nitrosalicylat,methyl-m-nitrosalicylate,acmc-209fxo,ksc490c4l
InChI Key	NIBVYEHAFBEVFI-UHFFFAOYSA-N
Molecular Formula	C₈H₇NO₅

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2-Chloro-6-nitrobenzoic acid, 99%

CAS: 5344-49-0 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.562 MDL Number: MFCD00100425 InChI Key: JYHOMEFOTKWQPN-UHFFFAOYSA-N Synonym: 2-chloro-6-nitrobenzoic acid,2-chloro-6-nitro-benzoic acid,6-chloro-2-nitrobenzoic acid,benzoic acid, 2-chloro-6-nitro,pubchem20037,6-chloro-2-nitrobenzo,acmc-209l7b,2-chloro-6-nitrobenzoicacid,2-carboxy-3-chloronitrobenzene,2-chloro-6-nitrobenzoic acid # PubChem CID: 79287 SMILES: C1=CC(=C(C(=C1)Cl)C(=O)O)[N+](=O)[O-]

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PubChem CID	79287
CAS	5344-49-0
Molecular Weight (g/mol)	201.562
MDL Number	MFCD00100425
SMILES	C1=CC(=C(C(=C1)Cl)C(=O)O)[N+](=O)[O-]
Synonym	2-chloro-6-nitrobenzoic acid,2-chloro-6-nitro-benzoic acid,6-chloro-2-nitrobenzoic acid,benzoic acid, 2-chloro-6-nitro,pubchem20037,6-chloro-2-nitrobenzo,acmc-209l7b,2-chloro-6-nitrobenzoicacid,2-carboxy-3-chloronitrobenzene,2-chloro-6-nitrobenzoic acid #
InChI Key	JYHOMEFOTKWQPN-UHFFFAOYSA-N
Molecular Formula	C7H4ClNO4

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2-Fluoro-6-nitrobenzoic acid, 98%

CAS: 385-02-4 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD01862079 InChI Key: MPDZCNPDHUUPRL-UHFFFAOYSA-N Synonym: 2-fluoro-6-nitrobenzoic acid,2-fluoro-6-nitrobenzoicacid,6-fluoro-2-nitrobenzoic acid,2-carboxy-3-fluoronitrobenzene,2-fluoro-6-nitro-benzoic acid,benzoic acid, 2-fluoro-6-nitro,pubchem1308,6-fluoro-nitrobenzoic acid,acmc-209j0j,ksc222c6b PubChem CID: 603758 SMILES: C1=CC(=C(C(=C1)F)C(=O)O)[N+](=O)[O-]

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PubChem CID	603758
CAS	385-02-4
Molecular Weight (g/mol)	185.11
MDL Number	MFCD01862079
SMILES	C1=CC(=C(C(=C1)F)C(=O)O)[N+](=O)[O-]
Synonym	2-fluoro-6-nitrobenzoic acid,2-fluoro-6-nitrobenzoicacid,6-fluoro-2-nitrobenzoic acid,2-carboxy-3-fluoronitrobenzene,2-fluoro-6-nitro-benzoic acid,benzoic acid, 2-fluoro-6-nitro,pubchem1308,6-fluoro-nitrobenzoic acid,acmc-209j0j,ksc222c6b
InChI Key	MPDZCNPDHUUPRL-UHFFFAOYSA-N
Molecular Formula	C7H4FNO4

2-Methyl-5-nitrobenzoic acid, 99+%, Thermo Scientific™

CAS: 1975-52-6 Molecular Formula: C₈H₇NO₄ Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007371 InChI Key: DJRFJAVPROZZFL-UHFFFAOYSA-N Synonym: 2-methyl-5-nitrobenzoic acid,5-nitro-o-toluic acid,benzoic acid, 2-methyl-5-nitro,2-methyl-5-nitro-benzoic acid,5-nitro-2-methylbenzoic acid,rarechem al bo 0285,5-nitro-2-methyl benzoic acid,2-methyl-5-nitro benzoic acid,pubchem2244 PubChem CID: 519683 SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

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PubChem CID	519683
CAS	1975-52-6
Molecular Weight (g/mol)	181.15
MDL Number	MFCD00007371
SMILES	CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O
Synonym	2-methyl-5-nitrobenzoic acid,5-nitro-o-toluic acid,benzoic acid, 2-methyl-5-nitro,2-methyl-5-nitro-benzoic acid,5-nitro-2-methylbenzoic acid,rarechem al bo 0285,5-nitro-2-methyl benzoic acid,2-methyl-5-nitro benzoic acid,pubchem2244
InChI Key	DJRFJAVPROZZFL-UHFFFAOYSA-N
Molecular Formula	C₈H₇NO₄

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4-Nitrobenzoic acid, 99%

CAS: 62-23-7 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007352 InChI Key: OTLNPYWUJOZPPA-UHFFFAOYSA-N Synonym: 4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova PubChem CID: 6108 ChEBI: CHEBI:262350 SMILES: C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

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PubChem CID	6108
CAS	62-23-7
Molecular Weight (g/mol)	167.12
ChEBI	CHEBI:262350
MDL Number	MFCD00007352
SMILES	C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
Synonym	4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova
InChI Key	OTLNPYWUJOZPPA-UHFFFAOYSA-N
Molecular Formula	C7H5NO4

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4-Nitrophthalic acid, 99%

CAS: 610-27-5 Molecular Formula: C₈H₅NO₆ Molecular Weight (g/mol): 211.13 InChI Key: SLBQXWXKPNIVSQ-UHFFFAOYSA-N Synonym: 4-nitrophthalic acid,5-nitrophthalic acid,4-nitrobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-nitro,phthalic acid, 4-nitro,4-nitrophthalicacid,p-nitrophthalic acid,4-nitro-phthalic acid,acmc-209mo8 PubChem CID: 69121 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O

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PubChem CID	69121
CAS	610-27-5
Molecular Weight (g/mol)	211.13
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O
Synonym	4-nitrophthalic acid,5-nitrophthalic acid,4-nitrobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-nitro,phthalic acid, 4-nitro,4-nitrophthalicacid,p-nitrophthalic acid,4-nitro-phthalic acid,acmc-209mo8
InChI Key	SLBQXWXKPNIVSQ-UHFFFAOYSA-N
Molecular Formula	C₈H₅NO₆

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3,4-Dinitrobenzoic acid, 99%

CAS: 528-45-0 Molecular Formula: C7H4N2O6 Molecular Weight (g/mol): 212.12 MDL Number: MFCD00007255 InChI Key: OMVRRHJJQILIJX-UHFFFAOYSA-N Synonym: 3,4-dinitrobenzoic acid,benzoic acid, 3,4-dinitro,unii-0l3n4t0gpd,ccris 3128,3,4-dinitrobenzioc acid,0l3n4t0gpd,3,4-dinitrobenzoate,3,4-di-nitro-benzoic acid,zlchem 522,pubchem4956 PubChem CID: 10709 IUPAC Name: 3,4-dinitrobenzoic acid SMILES: OC(=O)C1=CC=C(C(=C1)[N+]([O-])=O)[N+]([O-])=O

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Specifications

PubChem CID	10709
CAS	528-45-0
Molecular Weight (g/mol)	212.12
MDL Number	MFCD00007255
SMILES	OC(=O)C1=CC=C(C(=C1)[N+]([O-])=O)[N+]([O-])=O
Synonym	3,4-dinitrobenzoic acid,benzoic acid, 3,4-dinitro,unii-0l3n4t0gpd,ccris 3128,3,4-dinitrobenzioc acid,0l3n4t0gpd,3,4-dinitrobenzoate,3,4-di-nitro-benzoic acid,zlchem 522,pubchem4956
IUPAC Name	3,4-dinitrobenzoic acid
InChI Key	OMVRRHJJQILIJX-UHFFFAOYSA-N
Molecular Formula	C7H4N2O6

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